iterations/neb0_image02_iter8.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.467984086294 0.239915084988 0.475068723606} O1 1 1
14 {} {0.32861988099 0.244503301518 0.559611673173} Si1 2 1
14 {} {0.602666913069 0.323907214396 0.434145844143} Si2 3 1
8 {} {0.560985121326 0.472291574928 0.369950345701} O2 4 1
8 {} {0.331707481464 0.375624842749 0.660510180269} O3 5 1
14 {} {0.270829474144 0.517679409057 0.720249862437} Si3 6 1
14 {} {0.516149592079 0.635635410861 0.379210346608} Si4 7 1
1 {} {0.320395981514 0.12376398172 0.644851885955} H1 8 1
1 {} {0.214220975405 0.256398926978 0.466278001708} H2 9 1
1 {} {0.673135143561 0.245438838419 0.329216880371} H3 10 1
1 {} {0.687782550314 0.344022377077 0.554833605689} H4 11 1
1 {} {0.122853609522 0.493422206955 0.736425462062} H5 12 1
1 {} {0.34255068386 0.536702621233 0.84933917736} H6 13 1
1 {} {0.38356371638 0.709320495017 0.346640731014} H7 14 1
1 {} {0.599795869999 0.701599755765 0.274914886643} H8 15 1
1 {} {0.566642106235 0.686142883723 0.512320506764} H10 16 1
8 {} {0.285720009283 0.63574302376 0.618378697627} O 17 1
1 {} {0.33448294638 0.730406011457 0.599111183492} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end